CHEBI:163882 - Thr-Glu-Trp

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Thr-Glu-Trp
ChEBI ID CHEBI:163882
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N4O7
Net Charge 0
Average Mass 434.449
Monoisotopic Mass 434.18015
InChI InChI=1S/C20H26N4O7/c1-10(25)17(21)19(29)23-14(6-7-16(26)27)18(28)24-15(20(30)31)8-11-9-22-13-5-3-2-4-12(11)13/h2-5,9-10,14-15,17,22,25H,6-8,21H2,1H3,(H,23,29)(H,24,28)(H,26,27)(H,30,31)/t10-,14+,15+,17+/m1/s1
InChIKey VULNJDORNLBPNG-SWRJLBSHSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CCC(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Thr-Glu-Trp (CHEBI:163882) is a peptide (CHEBI:16670)
IUPAC Name
(4S)-4-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid